Critical analysis of spectral solvent shifts calculated by the contemporary PCM approaches of a representative series of charge-transfer complexes between tetracyanoethylene and methylated benzenes
Budzák, Šimon, Mach, Pavel, Medved', Miroslav, Kysel', Ondrej
Published in Physical chemistry chemical physics : PCCP (21.07.2015)
Published in Physical chemistry chemical physics : PCCP (21.07.2015)
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Theoretical study of charge transfer complexes between antithyroid thioamides and TCNE: Thermodynamics of the complex formation
Budzák, Šimon, Mach, Pavel, Juhász, György, Medved’, Miroslav, Kysel’, Ondrej
Published in Computational and theoretical chemistry (01.01.2015)
Published in Computational and theoretical chemistry (01.01.2015)
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Critical analysis of spectral solvent shifts calculated by the contemporary PCM approaches of a representative series of charge-transfer complexes between tetracyanoethylene and methylated benzenesOn the occasion of his 80th birthday we dedicate this work to Professor Jacopo Tomasi from Pisa University who paved the way to the creation, development and actual wide spectrum of the applications of PCM solvent effect theory.Electronic supplementary information (ESI) available. See DOI: 10.1039/c5cp
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